# CIF generated by HEAS from Alexandria entry agm034117667 data_agm034117667 _cell_length_a 8.73377 _cell_length_b 8.73377 _cell_length_c 8.73377 _cell_angle_alpha 152.02539 _cell_angle_beta 137.33864 _cell_angle_gamma 51.79133 _cell_volume 210.76653 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 Ca 0.00000 0.00000 0.00000 1.00000 Ca2 Ca 0.35367 0.35367 1.00000 1.00000 Ca3 Ca 0.64633 0.64633 0.00000 1.00000 Tl1 Tl 0.50000 0.00000 0.50000 1.00000 I1 I 0.81096 0.31096 0.50000 1.00000 I2 I 0.18904 0.68904 0.50000 1.00000